1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione

C210H211Cl2F8N11O40 — CID 167649015

IUPAC1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione
SMILESCNCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN(C)C.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2ccc(OCC3(N)CC3)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C28H31FN2O5.C27H26ClFN2O4.C27H29FN2O5.C26H26FNO6.2C26H26FNO5.C25H23ClFNO5.C25H24FNO5/c1-18-16-20(6-8-21(18)29)28-26(34-4)13-9-22(30-28)24(33)11-10-23(32)19-7-12-25(27(17-19)35-5)36-15-14-31(2)3;1-16-13-18(3-5-20(16)29)26-25(34-2)10-6-21(31-26)23(33)8-7-22(32)17-4-9-24(19(28)14-17)35-15-27(30)11-12-27;1-17-15-19(5-7-20(17)28)27-25(33-3)12-8-21(30-27)23(32)10-9-22(31)18-6-11-24(26(16-18)34-4)35-14-13-29-2;1-16-14-18(4-6-19(16)27)26-24(32-2)11-7-20(28-26)22(31)9-8-21(30)17-5-10-23(34-13-12-29)25(15-17)33-3;1-17-16-19(6-9-21(17)27)26-25(32-3)13-10-22(28-26)24(30)12-11-23(29)18-4-7-20(8-5-18)33-15-14-31-2;1-16-14-19(4-6-20(16)27)26-25(32-3)11-7-21(28-26)23(31)9-8-22(30)18-5-10-24(17(2)15-18)33-13-12-29;1-15-13-17(3-5-19(15)27)25-24(32-2)10-6-20(28-25)22(31)8-7-21(30)16-4-9-23(18(26)14-16)33-12-11-29;1-16-15-18(5-8-20(16)26)25-24(31-2)12-9-21(27-25)23(30)11-10-22(29)17-3-6-19(7-4-17)32-14-13-28/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3;3-6,9-10,13-14H,7-8,11-12,15,30H2,1-2H3;5-8,11-12,15-16,29H,9-10,13-14H2,1-4H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;4-10,13,16H,11-12,14-15H2,1-3H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;3-6,9-10,13-14,29H,7-8,11-12H2,1-2H3;3-9,12,15,28H,10-11,13-14H2,1-2H3
InChIKeyQHMVRGFCYZMBKQ-UHFFFAOYSA-N
MW3751.92 g/mol
LogP38.96
Rot. Bonds86

About 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione

1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione (PubChem CID 167649015) has the molecular formula C210H211Cl2F8N11O40 and a molecular weight of 3751.92 g/mol. Its IUPAC name is 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione
PubChem CID167649015
Molecular FormulaC210H211Cl2F8N11O40
Molecular Weight3751.92 g/mol
Exact Mass3748.41
IUPAC Name1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione
SMILESCNCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN(C)C.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2ccc(OCC3(N)CC3)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(C)c1
InChIInChI=1S/C28H31FN2O5.C27H26ClFN2O4.C27H29FN2O5.C26H26FNO6.2C26H26FNO5.C25H23ClFNO5.C25H24FNO5/c1-18-16-20(6-8-21(18)29)28-26(34-4)13-9-22(30-28)24(33)11-10-23(32)19-7-12-25(27(17-19)35-5)36-15-14-31(2)3;1-16-13-18(3-5-20(16)29)26-25(34-2)10-6-21(31-26)23(33)8-7-22(32)17-4-9-24(19(28)14-17)35-15-27(30)11-12-27;1-17-15-19(5-7-20(17)28)27-25(33-3)12-8-21(30-27)23(32)10-9-22(31)18-6-11-24(26(16-18)34-4)35-14-13-29-2;1-16-14-18(4-6-19(16)27)26-24(32-2)11-7-20(28-26)22(31)9-8-21(30)17-5-10-23(34-13-12-29)25(15-17)33-3;1-17-16-19(6-9-21(17)27)26-25(32-3)13-10-22(28-26)24(30)12-11-23(29)18-4-7-20(8-5-18)33-15-14-31-2;1-16-14-19(4-6-20(16)27)26-25(32-3)11-7-21(28-26)23(31)9-8-22(30)18-5-10-24(17(2)15-18)33-13-12-29;1-15-13-17(3-5-19(15)27)25-24(32-2)10-6-20(28-25)22(31)8-7-21(30)16-4-9-23(18(26)14-16)33-12-11-29;1-16-15-18(5-8-20(16)26)25-24(31-2)12-9-21(27-25)23(30)11-10-22(29)17-3-6-19(7-4-17)32-14-13-28/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3;3-6,9-10,13-14H,7-8,11-12,15,30H2,1-2H3;5-8,11-12,15-16,29H,9-10,13-14H2,1-4H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;4-10,13,16H,11-12,14-15H2,1-3H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;3-6,9-10,13-14,29H,7-8,11-12H2,1-2H3;3-9,12,15,28H,10-11,13-14H2,1-2H3
InChIKeyQHMVRGFCYZMBKQ-UHFFFAOYSA-N
XLogP38.96
TPSA683.05 Ų
H-Bond Donors6
H-Bond Acceptors51
Rotatable Bonds86
Heavy Atoms271
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003751.92
LogP ≤ 538.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione?
The IUPAC name of 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione (CID 167649015) is 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione.
What is the SMILES notation for 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione?
The canonical SMILES for 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione is CNCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1OC.COCCOc1ccc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)cc1.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCN(C)C.COc1cc(C(=O)CCC(=O)c2ccc(OC)c(-c3ccc(F)c(C)c3)n2)ccc1OCCO.COc1ccc(C(=O)CCC(=O)c2ccc(OCC3(N)CC3)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(C)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)c(Cl)c2)nc1-c1ccc(F)c(C)c1.COc1ccc(C(=O)CCC(=O)c2ccc(OCCO)cc2)nc1-c1ccc(F)c(C)c1.
What is the InChIKey of 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione?
The InChIKey is QHMVRGFCYZMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O5.C27H26ClFN2O4.C27H29FN2O5.C26H26FNO6.2C26H26FNO5.C25H23ClFNO5.C25H24FNO5/c1-18-16-20(6-8-21(18)29)28-26(34-4)13-9-22(30-28)24(33)11-10-23(32)19-7-12-25(27(17-19)35-5)36-15-14-31(2)3;1-16-13-18(3-5-20(16)29)26-25(34-2)10-6-21(31-26)23(33)8-7-22(32)17-4-9-24(19(28)14-17)35-15-27(30)11-12-27;1-17-15-19(5-7-20(17)28)27-25(33-3)12-8-21(30-27)23(32)10-9-22(31)18-6-11-24(26(16-18)34-4)35-14-13-29-2;1-16-14-18(4-6-19(16)27)26-24(32-2)11-7-20(28-26)22(31)9-8-21(30)17-5-10-23(34-13-12-29)25(15-17)33-3;1-17-16-19(6-9-21(17)27)26-25(32-3)13-10-22(28-26)24(30)12-11-23(29)18-4-7-20(8-5-18)33-15-14-31-2;1-16-14-19(4-6-20(16)27)26-25(32-3)11-7-21(28-26)23(31)9-8-22(30)18-5-10-24(17(2)15-18)33-13-12-29;1-15-13-17(3-5-19(15)27)25-24(32-2)10-6-20(28-25)22(31)8-7-21(30)16-4-9-23(18(26)14-16)33-12-11-29;1-16-15-18(5-8-20(16)26)25-24(31-2)12-9-21(27-25)23(30)11-10-22(29)17-3-6-19(7-4-17)32-14-13-28/h6-9,12-13,16-17H,10-11,14-15H2,1-5H3;3-6,9-10,13-14H,7-8,11-12,15,30H2,1-2H3;5-8,11-12,15-16,29H,9-10,13-14H2,1-4H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;4-10,13,16H,11-12,14-15H2,1-3H3;4-7,10-11,14-15,29H,8-9,12-13H2,1-3H3;3-6,9-10,13-14,29H,7-8,11-12H2,1-2H3;3-9,12,15,28H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione?
1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione has a molecular weight of 3751.92 g/mol, XLogP of 38.96, 86 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-aminocyclopropyl)methoxy]-3-chlorophenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[3-chloro-4-(2-hydroxyethoxy)phenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methylphenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[4-(2-methoxyethoxy)phenyl]butane-1,4-dione;1-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-4-[3-methoxy-4-[2-(methylamino)ethoxy]phenyl]butane-1,4-dione is sourced from PubChem (CID 167649015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).